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新型コロナウイルスの構造情報

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コロナウイルス
コロナウイルス, 2020. David S. Goodsell@RCSB PDB による原画を修正

最近、新型コロナウイルス感染症(Novel Coronavirus disease 2019: COVID-19)の拡大が世界中で深刻な問題となっています。早急にこの新型ウイルス(Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2)を理解し有効な薬を開発するため,関連するタンパク質の構造研究は既に始まっています。そして,解明された構造はPDBに登録されていっています。PDBjでは利用者の利便を図るため,新型コロナウイルス特集ページを作成しました。新たなエントリーが毎週水曜日の週次更新で公開されると、同時にこのページにも追加されます。

またこのウイルスのタンパク質に関する解説記事を以下の「今月の分子」ページに掲載しています。

「全エントリー」のタブでは,同じ著者によるグループ登録のエントリーも全て区別し,すべてのPDB IDを省略せず表示しています。 「代表構造」タブには最も分解能の高い代表構造のみを表示しており,アミノ酸配列が100%同じPDBエントリーはリガンドが異なるものも含め除外してあります。 「最新のエントリー」のタブは,今週公開された最も新しいエントリーです。


作成日: 2020-09-03 (最終更新日: more than 1 year ago)2022-09-02
6ZH9
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Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2)
分子名称: CR3022 Light chain, CR3022 heavy, Nanobody H11-H4, ...
著者Naismith, J.H, Mikolajek, H, Le Bas, A.
登録日2020-06-21
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2.
Nat.Struct.Mol.Biol., 27, 2020
7C2Q
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BU of 7c2q by Molmil
The crystal structure of COVID-19 main protease in the apo state
分子名称: 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
登録日2020-05-08
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
7C2Y
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The crystal structure of COVID-2019 main protease in the apo state
分子名称: 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Zhou, H, Hu, X.H, Wang, Q.S, Li, J, Zhang, J.
登録日2020-05-10
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献COVID-2019 main protease in the apo state
To Be Published
7C6S
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Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Fu, L, Feng, Y.
登録日2020-05-22
公開日2020-09-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7C6U
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Crystal structure of SARS-CoV-2 complexed with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Fu, L, Feng, Y, Qi, J, Gao, F.G.
登録日2020-05-22
公開日2020-09-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7C8B
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Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK
分子名称: 3C-like proteinase, CHLORIDE ION, Z-VAD(OMe)-FMK
著者Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
登録日2020-05-29
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK
To Be Published
7C8D
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Cryo-EM structure of cat ACE2 and SARS-CoV-2 RBD
分子名称: Angiotensin-converting enzyme 2, Spike protein S1, ZINC ION
著者Gao, G.F, Wang, Q.H, Wu, L.l.
登録日2020-05-29
公開日2020-09-02
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Broad host range of SARS-CoV-2 and the molecular basis for SARS-CoV-2 binding to cat ACE2.
Cell Discov, 6, 2020
7CBT
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The crystal structure of SARS-CoV-2 main protease in complex with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Shi, Y, Peng, G.
登録日2020-06-13
公開日2020-09-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.346 Å)
主引用文献The preclinical inhibitor GS441524 in combination with GC376 efficaciously inhibited the proliferation of SARS-CoV-2 in the mouse respiratory tract.
Emerg Microbes Infect, 10, 2021
7CDZ
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Crystal structure of 2019-nCoV nucleocapsid N-terminal domain (NTD) protein
分子名称: Nucleoprotein
著者Peng, Y, Song, H, Qi, J, Gao, G.F.
登録日2020-06-21
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of the SARS-CoV-2 nucleocapsid and their perspectives for drug design.
Embo J., 39, 2020
7CE0
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Crystal structure of 2019-nCoV nucleocapsid C-terminal domain (CTD) protein
分子名称: Nucleoprotein
著者Peng, Y, Qi, J, Song, H, Gao, G.F.
登録日2020-06-21
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of the SARS-CoV-2 nucleocapsid and their perspectives for drug design.
Embo J., 39, 2020
7CJD
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Crystal structure of the SARS-CoV-2 PLpro C111S mutant
分子名称: 1,2-ETHANEDIOL, Non-structural protein 3, ZINC ION
著者Gao, X, Cui, S.
登録日2020-07-10
公開日2020-09-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
7CJM
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SARS CoV-2 PLpro in complex with GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
著者Fu, Z, Huang, H.
登録日2020-07-11
公開日2020-09-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
7CMD
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Crystal structure of the SARS-CoV-2 PLpro with GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
著者Gao, X, Cui, S.
登録日2020-07-27
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
7CTT
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Cryo-EM structure of Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state.
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Peng, Q, Peng, R, Shi, Y.
登録日2020-08-20
公開日2020-09-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural Basis of SARS-CoV-2 Polymerase Inhibition by Favipiravir.
Innovation (N Y), 2, 2021
7JME
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Structure of the SARS-CoV-2 NSP3 Macro X domain in complex with cyclic AMP
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Non-structural protein 3
著者Vuksanovic, N, Melkonian, T.R, Silvaggi, N.R.
登録日2020-07-31
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Drug-Like Ligands for the Mac1 Domain of SARS-CoV-2 Nsp3.
Slas Discov, 25, 2020
7JUN
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BU of 7jun by Molmil
Joint neutron/X-ray structure of SARS-CoV-2 3CL Mpro at room temperature
分子名称: 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2020-08-20
公開日2020-09-02
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
主引用文献Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography.
J.Biol.Chem., 295, 2020
7JU7
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The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-08-19
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
7JYC
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir
分子名称: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-08-30
公開日2020-09-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7A5R
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Complex of SARS-CoV-2 spike and CR3022 Fab (Non-Uniform Refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab Heavy Chain, CR3022 Fab Light Chain, ...
著者Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J.
登録日2020-08-21
公開日2020-09-16
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Antibody-mediated disruption of the SARS-CoV-2 spike glycoprotein.
Nat Commun, 11, 2020
7A5S
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Complex of SARS-CoV-2 spike and CR3022 Fab (Homogeneous Refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab Heavy Chain, CR3022 Fab Light Chain, ...
著者Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J.
登録日2020-08-21
公開日2020-09-16
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Antibody-mediated disruption of the SARS-CoV-2 spike glycoprotein.
Nat Commun, 11, 2020
7A91
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Dissociated S1 domain of SARS-CoV-2 Spike bound to ACE2 (Non-Uniform Refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
登録日2020-09-01
公開日2020-09-16
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
7A93
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SARS-CoV-2 Spike Glycoprotein with 2 RBDs Erect
分子名称: Spike glycoprotein
著者Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
登録日2020-09-01
公開日2020-09-16
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
7A94
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SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ...
著者Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
登録日2020-09-01
公開日2020-09-16
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
7A95
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SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound and 1 RBD Erect in Clockwise Direction
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
登録日2020-09-01
公開日2020-09-16
最終更新日2020-12-16
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
7A96
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SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound and 1 RBD Erect in Anticlockwise Direction
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
登録日2020-09-01
公開日2020-09-16
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020

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